5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-ethylsulfanylcarbonyl-2-nitro-benzoic acid

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-ethylsulfanylcarbonyl-2-nitro-benzoic acid Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-ethylsulfanylcarbonyl-2-nitro-benzoic acid CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-[(ethylthio)-oxomethyl]-2-nitrobenzoic acid IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-ethylsulfanylcarbonyl-2-nitrobenzoic acid Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(ethylthio)carbonyl-2-nitro-benzoic acid Formula: C17H11ClF3NO6S MolecularWeight: 449.78555

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1=C(C(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCSC(=O)C1=C(C(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H11ClF3NO6S/c1-2-29-16(25)11-7-9(6-10(15(23)24)14(11)22(26)27)28-13-4-3-8(5-12(13)18)17(19,20)21/h3-7H,2H2,1H3,(H,23,24)